2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid

C11H14N2O4 — CID 61157194

IUPAC2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
SMILESNC(C(=O)NC(CO)C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c12-9(7-4-2-1-3-5-7)10(15)13-8(6-14)11(16)17/h1-5,8-9,14H,6,12H2,(H,13,15)(H,16,17)
InChIKeyHOLHLWKPQMYCBY-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.75
Rot. Bonds5

About 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid

2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid (PubChem CID 61157194) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
PubChem CID61157194
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid
SMILESNC(C(=O)NC(CO)C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O4/c12-9(7-4-2-1-3-5-7)10(15)13-8(6-14)11(16)17/h1-5,8-9,14H,6,12H2,(H,13,15)(H,16,17)
InChIKeyHOLHLWKPQMYCBY-UHFFFAOYSA-N
XLogP-0.75
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-amino-2-phenylacetyl)amino]-4-hydroxybutanoic acid
CID 107825156
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]pentanoic acid
CID 103869746
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]-3-hydroxypropanoic acid
CID 104984630
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103869448
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid (CID 61157194) is 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid is NC(C(=O)NC(CO)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid?
The InChIKey is HOLHLWKPQMYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c12-9(7-4-2-1-3-5-7)10(15)13-8(6-14)11(16)17/h1-5,8-9,14H,6,12H2,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid?
2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-phenylacetyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61157194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).